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Ligand

NameCHEMBL94438
Molecular formulaC30H26F2N4O4
IUPAC name(2S)-2-[(5S)-1-[(2,5-difluorophenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
Molecular weight544.559
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.1
SynonymsBDBM50146703
(S)-[(S)-1-(2,5-Difluoro-benzyl)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid
Inchi KeyADOZPFPWNPYHGT-OFSOJUDTSA-N
Inchi IDInChI=1S/C30H26F2N4O4/c1-18-14-19(2)35-29(34-18)40-27(28(38)39)30(21-8-4-3-5-9-21)23-10-6-7-11-25(23)36(26(37)16-33-30)17-20-15-22(31)12-13-24(20)32/h3-15,27,33H,16-17H2,1-2H3,(H,38,39)/t27-,30+/m1/s1
PubChem CID11191999
ChEMBLCHEMBL94438
IUPHARN/A
BindingDB50146703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2932Endothelin receptor type BP24530EDNRBHomo sapiens (Human)442
2933Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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